SCHEMBL729956

SCHEMBL729956

c1ccc(-n2ncc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ CYP11B2 P19099 2/20 0.51
▸ CYP11B1 P15538 1/20 0.51
▸ KHK P50053 2/20 0.50
▸ MGAM O43451 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SI P14410 1/20 0.50
▸ MGAM2 Q2M2H8 1/20 0.50
▸ NR3C1 P04150 1/20 0.50
▸ RECQL P46063 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.47
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ KMO O15229 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ PAX8 Q06710 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30270004 1.00 KDM4E (0.56) KDM4ECYP11B2CYP11B1KHKMGAM
Hydrochloric Acid SCHEMBL3379409 0.98 KDM4E (0.55) KDM4ECYP11B2CYP11B1KHKMGAM
SCHEMBL13052911 0.87 CYP11B2 (0.55) KDM4ECYP11B2CYP11B1KHKMGAM
SCHEMBL29741044 0.86 CYP11B2 (0.51) KDM4ECYP11B2CYP11B1KHKMGAM
Propionic Acid SCHEMBL4552402 0.85 KMO (0.51) KDM4ECYP11B2CYP11B1KHKMGAM
SCHEMBL1880811 0.84 NR3C1 (0.55) KDM4ECYP11B2CYP11B1KHKMGAM
SCHEMBL29399064 0.84 NR3C1 (0.55) KDM4ECYP11B2CYP11B1KHKMGAM
SCHEMBL20603936 0.84 MGAM (0.49) KDM4ECYP11B2CYP11B1KHKMGAM
SCHEMBL29496849 0.84 NR3C1 (0.65) CYP11B2MGAMGAASIMGAM2
SCHEMBL19780904 0.84 NPC1 (0.61) KDM4ECYP11B2CYP11B1KHKMGAM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 210 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024088110-A1 HETEROCYCLIC MACROCYCLIC COMPOUND CONTAINING INDAZOLE STRUCTURE AND USED AS PROTEIN KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR 复旦大学 2024-05-02 — — WO claimed
EP-3010064-B1 SPACE-THROUGH CHARGE TRANSFER COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND DISPLAY DEVICE USING THE SAME LG DISPLAY CO LTD (KR) 2017-07-19 — — EP claimed
CN-101128559-A Phosphorescent OLEDs with exciton blocking layer EASTMAN KODAK CO (US) 2008-02-20 — — CN claimed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 — — EP claimed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 — — WO claimed
CN-122036606-A Synthesis method of aminoacridine compound 南京工业大学 2026-05-15 — — CN disclosed
US-11917908-B2 Organic compound, optical device, light-emitting device, light-emitting apparatus, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-02-27 — — US disclosed
US-11917908-B2 Organic compound, optical device, light-emitting device, light-emitting apparatus, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-02-27 — — US disclosed
US-11878977-B2 JAK inhibitors containing a 4-membered heterocyclic amide THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-01-23 — — US disclosed
WO-2023190219-A1 ORGANIC METAL COMPLEX, AND ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC EQUIPMENT, LIGHTING DEVICE, AND MOBILE OBJECT EACH CONTAINING ORGANIC METAL COMPLEX キヤノン株式会社 2023-10-05 — — WO disclosed
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Kineta, Inc. 2023-08-03 — — US disclosed
CN-116332851-A Cyanomethyl phenyl indazole compound and preparation method thereof 河南中医药大学 2023-06-27 — — CN disclosed
CN-1331076-A Fused pyrazolyl compounds, compositions containing the same, and uses of the compounds YONGXIN MEDICINE INDUSTRY CO L (CN) 2002-01-16 — — CN disclosed
WO-2001046104-A1 BIS(4-HYDROXYARYL)ALKANES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 — — WO disclosed
EP-0197495-B1 4,5,6,7-TETRAHYDRO-2H-INDAZOLE DERIVATIVES AND HERBICIDES CONTAINING THEM SHIONOGI & CO., LTD. (JP) 1990-07-11 — — EP disclosed
EP-0150419-B1 2H-v-triazolyl[4,5-b]pyridines and their use BASF Aktiengesellschaft (DE) 1988-07-27 — — EP disclosed
US-4695312-A 4,5,6,7-tetrahydro-2H-indazole derivatives and herbicides containing them SHIONOGI & CO., LTD. (JP) 1987-09-22 — — US disclosed
EP-0197495-A1 4,5,6,7-Tetrahydro-2H-indazole derivatives and herbicides containing them SHIONOGI & CO., LTD. (JP) 1986-10-15 — — EP disclosed
EP-0162216-A1 2,4,5-Triphenyl-1,2,3-triazoles and thier use BASF Aktiengesellschaft (DE) 1985-11-27 — — EP disclosed
EP-0150419-A1 2H-v-triazolyl[4,5-b]pyridines and their use BASF Aktiengesellschaft (DE) 1985-08-07 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11878977-B2 JAK inhibitors containing a 4-membered heterocyclic amide JAK1, JAK2, JAK3 KDM4E 282/4885CYP11B2 1056/4885CYP11B1 1002/4885
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 KDM4E 1916/4885CYP11B2 3099/4885CYP11B1 2481/4885
US-11917908-B2 Organic compound, optical device, light-emitting device, light-emitting apparatus, electronic device, and lighting device NR2E3, AOX1, CYP1A1 KDM4E 4241/4885CYP11B2 180/4885CYP11B1 120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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